2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butanoic acid

C11H18N2O2 — CID 82869291

IUPAC2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butanoic acid
SMILESCCC(CC)(Cc1ccn(C)n1)C(=O)O
InChIInChI=1S/C11H18N2O2/c1-4-11(5-2,10(14)15)8-9-6-7-13(3)12-9/h6-7H,4-5,8H2,1-3H3,(H,14,15)
InChIKeyUIMVMGISYLRXQU-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.85
Rot. Bonds5

About 2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butanoic acid

2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butanoic acid (PubChem CID 82869291) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butanoic acid
PubChem CID82869291
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butanoic acid
SMILESCCC(CC)(Cc1ccn(C)n1)C(=O)O
InChIInChI=1S/C11H18N2O2/c1-4-11(5-2,10(14)15)8-9-6-7-13(3)12-9/h6-7H,4-5,8H2,1-3H3,(H,14,15)
InChIKeyUIMVMGISYLRXQU-UHFFFAOYSA-N
XLogP1.85
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(aminomethyl)-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butanoic acid
CID 106487387
diethyl 2-methyl-2-[(1-methylpyrazol-3-yl)methyl]propanedioate
CID 103972610
2-(aminomethyl)-2-[(1-cyclopentylpyrazol-3-yl)methyl]butanoic acid
CID 106487455
N-ethyl-2,2-dimethyl-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82871999
1-(1-methylpyrazol-3-yl)-2-phenylbutan-2-amine
CID 82869830
2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide
CID 82874484
2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]hexan-1-ol
CID 82871026
2-ethyl-2-[(1-methylpyrazol-3-yl)methylamino]propane-1,3-diol
CID 115876423
3-ethyl-1-methylpyrazole;propane
CID 170573719
N-tert-butyl-2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine
CID 82870837
3-ethyl-1-(1-methylpyrazol-3-yl)pentan-2-one
CID 115793089
2-hydroxy-2-methyl-3-[2-(1-methylpyrazol-3-yl)ethylamino]propanoic acid
CID 106104661

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butanoic acid?
The IUPAC name of 2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butanoic acid (CID 82869291) is 2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butanoic acid is CCC(CC)(Cc1ccn(C)n1)C(=O)O.
What is the InChIKey of 2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butanoic acid?
The InChIKey is UIMVMGISYLRXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-4-11(5-2,10(14)15)8-9-6-7-13(3)12-9/h6-7H,4-5,8H2,1-3H3,(H,14,15).
What are the key properties of 2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butanoic acid?
2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butanoic acid has a molecular weight of 210.28 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butanoic acid is sourced from PubChem (CID 82869291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).